1-(2-chloranylethanoyl)-2,3-dihydroindole-2-carboxylate hydrate

Systemtic Name: 1-(2-chloranylethanoyl)-2,3-dihydroindole-2-carboxylate hydrate Openeye Name: 1-(2-chloroacetyl)indoline-2-carboxylate hydrate CAS Name: 1-(2-chloro-1-oxoethyl)-2,3-dihydroindole-2-carboxylate hydrate IUPAC Name: 1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylate hydrate Traditional Name: 1-(2-chloroacetyl)indoline-2-carboxylate hydrate Formula: C11H11ClNO4- MolecularWeight: 256.66234

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C21)C(=O)CCl)C(=O)[O-].O

Isomeric SMILES

C1C(N(C2=CC=CC=C21)C(=O)CCl)C(=O)[O-].O

InChI

InChI=1S/C11H10ClNO3.H2O/c12-6-10(14)13-8-4-2-1-3-7(8)5-9(13)11(15)16;/h1-4,9H,5-6H2,(H,15,16);1H2/p-1